1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-fluorobenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H21FN2+2 MolecularWeight: 224.317643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2/c1-15-7-2-8-16(10-9-15)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11H2,1H3/p+2